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CHEBI:169726 - 2-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hydroxybutanedioic acid

ChEBI IDCHEBI:169726
ChEBI Name2-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hydroxybutanedioic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H14O12
Net Charge0
Average Mass326.210
Monoisotopic Mass326.04853
SMILESO=C(O)C(O)C(OC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O
InChIInChI=1S/C10H14O12/c11-1-2(12)5(8(17)18)21-10(3(1)13)22-6(9(19)20)4(14)7(15)16/h1-6,10-14H,(H,15,16)(H,17,18)(H,19,20)
InChIKeyZNTQYJCHCKXGEK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-hydroxybutanedioic acid (CHEBI:169726) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
2-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-3-hydroxybutanedioic acid
Manual XrefsDatabases
HMDB0127956HMDB